4-[[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]methyl]pyrocatechol Formula: C17H18N8O2 MolecularWeight: 366.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=NC3=C2NC=N3)NCCC4=CN=CN4)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=NC3=C2NC=N3)NCCC4=CN=CN4)O)O

InChI

InChI=1S/C17H18N8O2/c26-12-2-1-10(5-13(12)27)6-20-15-14-16(23-9-22-14)25-17(24-15)19-4-3-11-7-18-8-21-11/h1-2,5,7-9,26-27H,3-4,6H2,(H,18,21)(H3,19,20,22,23,24,25)